Task 38616524

Name p38_A27_A15_r0_5-QUICO_ATM_OpenFF_p38-5-6-RND8549_2
Workunit 31567233
Created 17 Apr 2026, 21:09:58 UTC
Sent 17 Apr 2026, 21:10:19 UTC
Report deadline 22 Apr 2026, 21:10:19 UTC
Received 17 Apr 2026, 21:25:03 UTC
Server state Over
Outcome Computation error
Client state Compute error
Exit status 195 (0x000000C3) EXIT_CHILD_FAILED
Computer ID 652091
Run time 4 min 10 sec
CPU time 1 min 18 sec
Validate state Invalid
Credit 0.00
Device peak FLOPS 6,457.35 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 615.56 MB
Peak swap size 5.17 GB
Peak disk usage 4.18 GB

Stderr output

<core_client_version>8.2.9</core_client_version>
<![CDATA[
<message>
The operating system cannot run (null).
 (0xc3) - exit code 195 (0xc3)</message>
<stderr_txt>
22:21:29 (31236): wrapper (7.9.26016): starting
22:21:29 (31236): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A27_A15_0.pdb
QB_A27_A15_0.xml
QB_A27_A15.inpcrd
QB_A27_A15_input.yaml
QB_A27_A15.pdb
QB_A27_A15.prmtop
QB_A27_A15_sys.xml
run.bat
run.sh
22:21:31 (31236): Library/usr/bin/tar.exe exited; CPU time 0.015625
22:21:31 (31236): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'C:\ProgramData\BOINC\slots\3\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
Traceback (most recent call last):
  File "<frozen runpy>", line 198, in _run_module_as_main
  File "<frozen runpy>", line 88, in _run_code
  File "C:\ProgramData\BOINC\slots\3\Scripts\rbfe_production.exe\__main__.py", line 7, in <module>
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\rbfe_production.py", line 33, in rbfe_production
    rx.scheduleJobs()
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\async_re.py", line 321, in scheduleJobs
    self.transport.ProcessJobQueue(min_time,cycle_time)
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 186, in ProcessJobQueue
    self.isDone(repl,0)
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 287, in isDone
    retcode = self._update_replica(job)
              ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\local_openmm_transport.py", line 210, in _update_replica
    (pos,vel) = job['openmm_worker'].get_posvel()
                ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\atom_openmm\ommworker.py", line 467, in get_posvel
    state = self.context.getState(getPositions=True, getVelocities=True)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "C:\ProgramData\BOINC\slots\3\Lib\site-packages\openmm\openmm.py", line 5022, in getState
    state = _openmm.Context_getState(self, types, enforcePeriodicBox, groups_mask)
            ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
openmm.OpenMMException: Error downloading array posq: CUDA_ERROR_UNKNOWN (999)
22:23:35 (31236): C:/Windows/system32/cmd.exe exited; CPU time 78.031250
22:23:35 (31236): app exit status: 0x16
22:23:35 (31236): called boinc_finish(195)
0 bytes in 0 Free Blocks.
256 bytes in 6 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 1790963 bytes.
Dumping objects ->
{3835193} normal block at 0x00000250F10012C0, 48 bytes long.
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{3835182} normal block at 0x00000250F1000E60, 48 bytes long.
 Data: <HOME=C:\ProgramD> 48 4F 4D 45 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835171} normal block at 0x00000250F1000FB0, 48 bytes long.
 Data: <TMP=C:\ProgramDa> 54 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 61 
{3835160} normal block at 0x00000250F1000C30, 48 bytes long.
 Data: <TEMP=C:\ProgramD> 54 45 4D 50 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
{3835149} normal block at 0x00000250F1001100, 48 bytes long.
 Data: <TMPDIR=C:\Progra> 54 4D 50 44 49 52 3D 43 3A 5C 50 72 6F 67 72 61 
{3835118} normal block at 0x00000250F111F940, 64 bytes long.
 Data: <PATH=C:\ProgramD> 50 41 54 48 3D 43 3A 5C 50 72 6F 67 72 61 6D 44 
..\api\boinc_api.cpp(309) : {3835105} normal block at 0x00000250EF61B5A0, 8 bytes long.
 Data: <  Z&#239;P   > 00 00 5A EF 50 02 00 00 
{3833955} normal block at 0x00000250EF61B500, 8 bytes long.
 Data: <&#208;&#230; &#241;P   > D0 E6 17 F1 50 02 00 00 
..\zip\boinc_zip.cpp(122) : {309} normal block at 0x00000250EF624F00, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{294} normal block at 0x00000250EF60B6E0, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{293} normal block at 0x00000250EF626EE0, 16 bytes long.
 Data: <hwb&#239;P           > 68 77 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{292} normal block at 0x00000250EF626E90, 16 bytes long.
 Data: <@wb&#239;P           > 40 77 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{291} normal block at 0x00000250EF620AE0, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{290} normal block at 0x00000250EF626F80, 16 bytes long.
 Data: < wb&#239;P           > 18 77 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{289} normal block at 0x00000250EF626E40, 16 bytes long.
 Data: <&#240;vb&#239;P           > F0 76 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x00000250EF626DA0, 16 bytes long.
 Data: <&#200;vb&#239;P           > C8 76 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{287} normal block at 0x00000250EF626C10, 16 bytes long.
 Data: <&#160;vb&#239;P           > A0 76 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x00000250EF621DD0, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{285} normal block at 0x00000250EF626210, 16 bytes long.
 Data: <&#232; a&#239;P           > E8 02 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{284} normal block at 0x00000250EF620060, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{283} normal block at 0x00000250EF626A80, 16 bytes long.
 Data: <&#192; a&#239;P           > C0 02 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x00000250EF626BC0, 16 bytes long.
 Data: <  a&#239;P           > 98 02 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x00000250EF626D50, 16 bytes long.
 Data: <p a&#239;P           > 70 02 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{279} normal block at 0x00000250EF626A30, 16 bytes long.
 Data: <H a&#239;P           > 48 02 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x00000250EF6269E0, 16 bytes long.
 Data: <  a&#239;P           > 20 02 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{277} normal block at 0x00000250EF6264E0, 16 bytes long.
 Data: <&#248; a&#239;P           > F8 01 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{276} normal block at 0x00000250EF6209C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{275} normal block at 0x00000250EF626AD0, 16 bytes long.
 Data: <&#208; a&#239;P           > D0 01 61 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x00000250EF6101D0, 320 bytes long.
 Data: <&#208;jb&#239;P   &#192;	b&#239;P   > D0 6A 62 EF 50 02 00 00 C0 09 62 EF 50 02 00 00 
{273} normal block at 0x00000250EF6263F0, 16 bytes long.
 Data: < vb&#239;P           > 80 76 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x00000250EF6267B0, 16 bytes long.
 Data: <Xvb&#239;P           > 58 76 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x00000250EF620720, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{270} normal block at 0x00000250EF6261C0, 16 bytes long.
 Data: <0vb&#239;P           > 30 76 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{269} normal block at 0x00000250EF620BA0, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{268} normal block at 0x00000250EF626490, 16 bytes long.
 Data: <xub&#239;P           > 78 75 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{267} normal block at 0x00000250EF6262B0, 16 bytes long.
 Data: <Pub&#239;P           > 50 75 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x00000250EF626990, 16 bytes long.
 Data: <(ub&#239;P           > 28 75 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x00000250EF626940, 16 bytes long.
 Data: < ub&#239;P           > 00 75 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{264} normal block at 0x00000250EF6268F0, 16 bytes long.
 Data: <&#216;tb&#239;P           > D8 74 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x00000250EF626B70, 16 bytes long.
 Data: <&#176;tb&#239;P           > B0 74 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x00000250EF626300, 16 bytes long.
 Data: <  b&#239;P           > 10 1C 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x00000250EF621C10, 40 bytes long.
 Data: < cb&#239;P   @&#249; &#241;P   > 00 63 62 EF 50 02 00 00 40 F9 11 F1 50 02 00 00 
{259} normal block at 0x00000250EF6268A0, 16 bytes long.
 Data: < tb&#239;P           > 90 74 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x00000250EF626760, 16 bytes long.
 Data: <htb&#239;P           > 68 74 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x00000250EF620360, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{256} normal block at 0x00000250EF626CB0, 16 bytes long.
 Data: <@tb&#239;P           > 40 74 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x00000250EF627440, 992 bytes long.
 Data: <&#176;lb&#239;P   ` b&#239;P   > B0 6C 62 EF 50 02 00 00 60 03 62 EF 50 02 00 00 
{91} normal block at 0x00000250EF6203C0, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{90} normal block at 0x00000250EF61BE10, 16 bytes long.
 Data: <&#160; b&#239;P           > A0 1B 62 EF 50 02 00 00 00 00 00 00 00 00 00 00 
{89} normal block at 0x00000250EF621BA0, 40 bytes long.
 Data: < &#190;a&#239;P   &#192; b&#239;P   > 10 BE 61 EF 50 02 00 00 C0 03 62 EF 50 02 00 00 
{68} normal block at 0x00000250EF61B730, 16 bytes long.
 Data: < &#234;&#197;X&#247;           > 80 EA C5 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{67} normal block at 0x00000250EF61B960, 16 bytes long.
 Data: <@&#233;&#197;X&#247;           > 40 E9 C5 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{66} normal block at 0x00000250EF61C180, 16 bytes long.
 Data: <&#248;W&#194;X&#247;           > F8 57 C2 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{65} normal block at 0x00000250EF61BDC0, 16 bytes long.
 Data: <&#216;W&#194;X&#247;           > D8 57 C2 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{64} normal block at 0x00000250EF61B410, 16 bytes long.
 Data: <P &#194;X&#247;           > 50 04 C2 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{63} normal block at 0x00000250EF61B8C0, 16 bytes long.
 Data: <0 &#194;X&#247;           > 30 04 C2 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{62} normal block at 0x00000250EF61BD20, 16 bytes long.
 Data: <&#224; &#194;X&#247;           > E0 02 C2 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x00000250EF61B3C0, 16 bytes long.
 Data: <  &#194;X&#247;           > 10 04 C2 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x00000250EF61B910, 16 bytes long.
 Data: <p &#194;X&#247;           > 70 04 C2 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x00000250EF61BFA0, 16 bytes long.
 Data: < &#192;&#192;X&#247;           > 18 C0 C0 58 F7 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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